نتایج جستجو برای: exchange correlation

تعداد نتایج: 573589  

Journal: :Physical Review B 2022

The equation of motion the Green's function a many-electron system is shown to be governed by multiplicative exchange-correlation potential, in contrast self-energy. Crucially, this potential simply Coulomb an hole and fulfills sum rule. formulation offers simple physical interpretation for propagation added electron or may provide route density-functional-like approximations calculating functi...

Journal: :Physical review research 2022

Density functional theory is the standard for computing electronic structure of materials, which based on a that maps electron density to energy. However, rigorous form not known and has been heuristically constructed by interpolating asymptotic constraints extreme situations, such as isolated atoms uniform gas. Recent studies have demonstrated can be effectively approximated using machine lear...

Journal: :Physical review 2022

We study the role of correlation in mechanisms energy exchange between an interacting bipartite quantum system and its environment by decomposing to local correlation-related contributions. When Hamiltonian is time-independent, no external work performed. In this case, occurs only due change state system. investigate possibility a special case where with exclusively changes constituent parts sy...

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